1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-

HCID 454845

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Basic information

CAS
143246-73-5
Standard SMILES
O=S(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1
InChIKey
WEJMICDBYIOXOH-UHFFFAOYSA-N
Molecular formula
C21H17NOS2
Average molar mass
363.5 g/mol
Monoisotopic mass
363.07515616

Names & identifiers

Preferred name
1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-
IUPAC
2-(benzenesulfinylmethyl)-3-phenylsulfanyl-1H-indole

Names & synonyms

1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-143246-73-52-[(benzenesulfinyl)methyl]-3-(phenylsulfanyl)-1H-indole5Cl3PhS-2IndolCONH2 inhibitor 5a2-(benzenesulfinylmethyl)-3-phenylsulfanyl-1H-indole3PhS-2PhSOMe-IndolBDBM2279CHEMBL280551SCHEMBL8938441DTXSID90332403WEJMICDBYIOXOH-UHFFFAOYSA-N2-Phenylsulfinylmethyl-3-phenylthioindole
Show more names
2-Phenylsulfinylmethyl-3 -phenylthioindole3-(Phenylthio)-2-[(phenylsulfinyl)methyl]indole

Database identifiers

CAS
143246-73-5
PubChem CID
454845
DTXSID
DTXSID90332403
ChEMBL
CHEMBL280551
Nikkaji
J548.736F

Properties

Computed structural propertiesFilling in

XLogP
4.9
Topological polar surface area
77.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records

Compound notes

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